AiiDA Wannier90 plugin

This is a plugin for running Wannier90 calculations on the AiiDA platform.

Please cite:

• An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions A. A. Mostofi, J. R. Yates, G. Pizzi, Y. S. Lee, I. Souza, D. Vanderbilt, and N. Marzari Comput. Phys. Commun. 185, 2309 (2014) [Online Journal]
• AiiDA: automated interactive infrastructure and database for computational science G. Pizzi, A. Cepellotti, R. Sabatini, N. Marzari, and B. Kozinsky Comp. Mat. Sci. 111, 218-230 (2016) [Journal link] [arXiv link]

Example submission file

• Documentation of the inputs of the aiida-wannier90 plugin
  • use_parameters
  • use_structure
  • use_kpoints
  • use_kpoint_path
  • use_local_input_folder or use_remote_input_folder
  • use_projections
  • use_settings

Reference

• Reference
  • Calculation and Parser classes
  • Helper modules
    • Writing input files
    • Creating OrbitalData instances

Indices and tables

• Index
• Module Index